⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11043557 | 0.81 | CYP19A1 (0.35) | — | |
| SCHEMBL11044703 | 0.81 | AR (0.31) | — | |
| SCHEMBL11042223 | 0.81 | CNR1 (0.30) | — | |
| SCHEMBL11042268 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL11042162 | 0.78 | TOP2A (0.34) | — | |
| SCHEMBL11046890 | 0.78 | CYP19A1 (0.36) | — | |
| SCHEMBL11045300 | 0.75 | P2RX7 (0.33) | — | |
| SCHEMBL11050458 | 0.74 | SLC6A2 (0.33) | — | |
| SCHEMBL11046338 | 0.72 | CYP19A1 (0.37) | — | |
| SCHEMBL11044112 | 0.72 | LMNA (0.40) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0122452-A1 | Triazolyl- and imidazolyl-substituted fluoroalkane derivatives, process for their preparation and pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1984-10-24 | — | — | EP | disclosed |